Navarro-Vázquez, Armando

[["dc.bibliographiccitation.firstpage","11983"],["dc.bibliographiccitation.issue","43"],["dc.bibliographiccitation.journal","Chemistry - A European Journal"],["dc.bibliographiccitation.lastpage","11986"],["dc.bibliographiccitation.volume","17"],["dc.contributor.author","Perez-Balado, Carlos"],["dc.contributor.author","Sun, Han"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Lera, Angel R. de"],["dc.contributor.author","Navarro-Vazquez, Armando"],["dc.date.accessioned","2017-09-07T11:43:23Z"],["dc.date.available","2017-09-07T11:43:23Z"],["dc.date.issued","2011"],["dc.identifier.doi","10.1002/chem.201101385"],["dc.identifier.gro","3142653"],["dc.identifier.isi","000297316100005"],["dc.identifier.pmid","21922573"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/81"],["dc.notes.intern","WoS Import 2017-03-10"],["dc.notes.status","final"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","0947-6539"],["dc.title","Residual Dipolar Coupling Enhanced NMR Spectroscopy and Chiroptics: A Powerful Combination for the Complete Elucidation of Symmetrical Small Molecules"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","561"],["dc.bibliographiccitation.issue","5"],["dc.bibliographiccitation.journal","Magnetic Resonance in Chemistry"],["dc.bibliographiccitation.lastpage","568"],["dc.bibliographiccitation.volume","59"],["dc.contributor.author","Melo Sousa, Cleyton Marcos"],["dc.contributor.author","Giordani, Raquel Brandt"],["dc.contributor.author","Almeida, Wamberto Alristenio Moreira"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Gil, Roberto R."],["dc.contributor.author","Navarro‐Vázquez, Armando"],["dc.contributor.author","Hallwass, Fernando"],["dc.date.accessioned","2022-03-01T11:46:25Z"],["dc.date.available","2022-03-01T11:46:25Z"],["dc.date.issued","2019"],["dc.identifier.doi","10.1002/mrc.4968"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/103659"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-531"],["dc.relation.eissn","1097-458X"],["dc.relation.issn","0749-1581"],["dc.rights.uri","http://onlinelibrary.wiley.com/termsAndConditions#am"],["dc.title","Effect of the solvent on the conformation of monocrotaline as determined by isotropic and anisotropic NMR parameters"],["dc.type","journal_article"],["dc.type.internalPublication","unknown"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","279"],["dc.bibliographiccitation.lastpage","324"],["dc.contributor.author","Gil, Roberto R."],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.contributor.author","Sun, Han"],["dc.date.accessioned","2017-09-07T11:52:27Z"],["dc.date.available","2017-09-07T11:52:27Z"],["dc.date.issued","2014"],["dc.description.abstract","The use of NMR spectroscopy in anisotropic media, particularly the application of residual dipolar couplings (RDCs) for the structural analysis of small molecules is presented. Experimental procedures such as choice and preparation of alignment media, as well as the selection of the right pulse‐sequences is discussed along with computational techniques for data analysis. Methods for the analysis of flexible molecules are also presented and illustrated with several examples from literature."],["dc.identifier.doi","10.1002/9783527664610.ch8"],["dc.identifier.gro","3144929"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/2607"],["dc.language.iso","en"],["dc.notes.intern","Crossref Import"],["dc.notes.status","final"],["dc.publisher","Wiley-VCH"],["dc.publisher.place","Weinheim"],["dc.relation.eisbn","978-3-52766-461-0"],["dc.relation.isbn","978-3-527-33336-3"],["dc.relation.ispartof","Structure Elucidation in Organic Chemistry"],["dc.title","Structural Elucidation of Small Organic Molecules Assistedby NMR in Aligned Media"],["dc.type","book_chapter"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","no"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","9487"],["dc.bibliographiccitation.issue","40"],["dc.bibliographiccitation.journal","Angewandte Chemie International Edition"],["dc.bibliographiccitation.lastpage","9490"],["dc.bibliographiccitation.volume","50"],["dc.contributor.author","Hallwass, Fernando"],["dc.contributor.author","Schmidt, Manuel"],["dc.contributor.author","Sun, Han"],["dc.contributor.author","Mazur, Adam"],["dc.contributor.author","Kummerloewe, Grit"],["dc.contributor.author","Luy, Burkhard"],["dc.contributor.author","Navarro-Vazquez, Armando"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Reinscheid, Uwe M."],["dc.date.accessioned","2017-09-07T11:45:04Z"],["dc.date.available","2017-09-07T11:45:04Z"],["dc.date.issued","2011"],["dc.identifier.doi","10.1002/anie.201101784"],["dc.identifier.gro","3142793"],["dc.identifier.isi","000296071700043"],["dc.identifier.pmid","21915963"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/237"],["dc.notes.intern","WoS Import 2017-03-10"],["dc.notes.status","final"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","1433-7851"],["dc.title","Residual Chemical Shift Anisotropy (RCSA): A Tool for the Analysis of the Configuration of Small Molecules"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","4957"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Nature Communications"],["dc.bibliographiccitation.volume","11"],["dc.contributor.author","Nath, Nilamoni"],["dc.contributor.author","Fuentes-Monteverde, Juan Carlos"],["dc.contributor.author","Pech-Puch, Dawrin"],["dc.contributor.author","Rodríguez, Jaime"],["dc.contributor.author","Jiménez, Carlos"],["dc.contributor.author","Noll, Markus"],["dc.contributor.author","Kreiter, Alexander"],["dc.contributor.author","Reggelin, Michael"],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.contributor.author","Griesinger, Christian"],["dc.date.accessioned","2022-03-01T11:45:58Z"],["dc.date.available","2022-03-01T11:45:58Z"],["dc.date.issued","2020"],["dc.description.abstract","An amendment to this paper has been published and can be accessed via a link at the top of the paper."],["dc.identifier.doi","10.1038/s41467-020-18927-2"],["dc.identifier.pii","18927"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/103516"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-531"],["dc.relation.eissn","2041-1723"],["dc.relation.iserratumof","/handle/2/103515"],["dc.rights.uri","https://creativecommons.org/licenses/by/4.0"],["dc.title","Author Correction: Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy"],["dc.type","journal_article"],["dc.type.internalPublication","unknown"],["dc.type.subtype","erratum_ja"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","4372"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Nature Communications"],["dc.bibliographiccitation.volume","11"],["dc.contributor.author","Nath, Nilamoni"],["dc.contributor.author","Fuentes-Monteverde, Juan Carlos"],["dc.contributor.author","Pech-Puch, Dawrin"],["dc.contributor.author","Rodríguez, Jaime"],["dc.contributor.author","Jiménez, Carlos"],["dc.contributor.author","Noll, Markus"],["dc.contributor.author","Kreiter, Alexander"],["dc.contributor.author","Reggelin, Michael"],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.contributor.author","Griesinger, Christian"],["dc.date.accessioned","2022-03-01T11:45:58Z"],["dc.date.available","2022-03-01T11:45:58Z"],["dc.date.issued","2020"],["dc.description.abstract","Abstract 3D molecular structure determination is a challenge for organic compounds or natural products available in minute amounts. Proton/proton and proton/carbon correlations yield the constitution. J couplings and NOEs oftentimes supported by one-bond 1 H, 13 C residual dipolar couplings (RDCs) or by 13 C residual chemical shift anisotropies (RCSAs) provide the relative configuration. However, these RDCs or carbon RCSAs rely on 1% natural abundance of 13 C preventing their use for compounds available only in quantities of a few 10’s of µgs. By contrast, 1 H RCSAs provide similar information on spatial orientation of structural moieties within a molecule, while using the abundant 1 H spin. Herein, 1 H RCSAs are accurately measured using constrained aligning gels or liquid crystals and applied to the 3D structural determination of molecules with varying complexities. Even more, deuterated alignment media allow the elucidation of the relative configuration of around 35 µg of a briarane compound isolated from Briareum asbestinum ."],["dc.description.abstract","Abstract 3D molecular structure determination is a challenge for organic compounds or natural products available in minute amounts. Proton/proton and proton/carbon correlations yield the constitution. J couplings and NOEs oftentimes supported by one-bond 1 H, 13 C residual dipolar couplings (RDCs) or by 13 C residual chemical shift anisotropies (RCSAs) provide the relative configuration. However, these RDCs or carbon RCSAs rely on 1% natural abundance of 13 C preventing their use for compounds available only in quantities of a few 10’s of µgs. By contrast, 1 H RCSAs provide similar information on spatial orientation of structural moieties within a molecule, while using the abundant 1 H spin. Herein, 1 H RCSAs are accurately measured using constrained aligning gels or liquid crystals and applied to the 3D structural determination of molecules with varying complexities. Even more, deuterated alignment media allow the elucidation of the relative configuration of around 35 µg of a briarane compound isolated from Briareum asbestinum ."],["dc.identifier.doi","10.1038/s41467-020-18093-5"],["dc.identifier.pii","18093"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/103515"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-531"],["dc.relation.eissn","2041-1723"],["dc.relation.haserratum","/handle/2/103516"],["dc.rights.uri","https://creativecommons.org/licenses/by/4.0"],["dc.title","Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy"],["dc.type","journal_article"],["dc.type.internalPublication","unknown"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","9368"],["dc.bibliographiccitation.issue","34"],["dc.bibliographiccitation.journal","Chemistry - A European Journal"],["dc.bibliographiccitation.lastpage","9376"],["dc.bibliographiccitation.volume","17"],["dc.contributor.author","Erdelyi, Mate"],["dc.contributor.author","D'Auvergne, E."],["dc.contributor.author","Navarro-Vazquez, Armando"],["dc.contributor.author","Leonov, Andrei"],["dc.contributor.author","Griesinger, Christian"],["dc.date.accessioned","2017-09-07T11:43:25Z"],["dc.date.available","2017-09-07T11:43:25Z"],["dc.date.issued","2011"],["dc.description.abstract","The dynamics of the glycosidic bond of lactose was studied by a paramagnetic tagging-based NMR technique, which allowed the collection of an unusually large series of NMR data for a single compound. By the use of distance-and orientation-dependent residual dipolar couplings and pseudocontact shifts, the simultaneous fitting of the probabilities of computed conformations and the orientation of the magnetic susceptibility tensor of a series of lanthanide complexes of lactose show that its glycosidic bond samples syn/syn, anti/syn and syn/anti phi/psi regions of the conformational space in water. The analysis indicates a higher reliability of pseudocontact shift data as compared to residual dipolar couplings with the presently available weakly orienting paramagnetic tagging technique. The method presented herein allows for an improved understanding of the dynamic behaviour of oligosaccharides."],["dc.identifier.doi","10.1002/chem.201100854"],["dc.identifier.gro","3142684"],["dc.identifier.isi","000294784400016"],["dc.identifier.pmid","21755545"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/115"],["dc.notes.intern","WoS Import 2017-03-10"],["dc.notes.status","final"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Wiley-blackwell"],["dc.relation.issn","0947-6539"],["dc.title","Dynamics of the Glycosidic Bond: Conformational Space of Lactose"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.subtype","original"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","321"],["dc.bibliographiccitation.issue","5"],["dc.bibliographiccitation.journal","Magnetic Resonance in Chemistry"],["dc.bibliographiccitation.lastpage","328"],["dc.bibliographiccitation.volume","56"],["dc.contributor.author","Hallwass, Fernando"],["dc.contributor.author","Teles, Rubens R."],["dc.contributor.author","Hellemann, Erich"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Gil, Roberto R."],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.date.accessioned","2018-02-02T07:56:16Z"],["dc.date.available","2018-02-02T07:56:16Z"],["dc.date.issued","2018"],["dc.description.abstract","Mechanical compression of polymer gels provides a simple way for the measurement of Residual Chemical Shift Anisotropies (RCSAs), which then can be employed, on its own, or in combination with Residual Dipolar Couplings (RDCs), for structural elucidation purposes. RCSAs measured using compression devices needed a posteriori correction to account for the increase of the polymer to solvent ratio inside the swollen gel. This correction has been cast before in terms of a single free parameter which, as shown here, can be simultaneously optimized along with the components of the alignment tensor while still retaining discriminating power of the different relative configurations as illustrated in the stereochemical analysis of α-santonin and 10-epi-8-deoxycumambrin B."],["dc.identifier.doi","10.1002/mrc.4711"],["dc.identifier.pmid","29327368"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/11943"],["dc.language.iso","en"],["dc.notes.status","final"],["dc.relation.eissn","1097-458X"],["dc.title","Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contribution"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","462"],["dc.bibliographiccitation.issue","7"],["dc.bibliographiccitation.journal","Marine Drugs"],["dc.bibliographiccitation.volume","20"],["dc.contributor.author","Fuentes-Monteverde, Juan Carlos C."],["dc.contributor.author","Nath, Nilamoni"],["dc.contributor.author","Forero, Abel M."],["dc.contributor.author","Balboa, Elena M."],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Jiménez, Carlos"],["dc.contributor.author","Rodríguez, Jaime"],["dc.date.accessioned","2022-09-01T09:51:14Z"],["dc.date.available","2022-09-01T09:51:14Z"],["dc.date.issued","2022"],["dc.description.abstract","The seaweed Sargassum muticum, collected on the southern coast of Galicia, yielded a tetraprenyltoluquinol chromane meroditerpene compound known as 1b, whose structure is revised. The relative configuration of 1b was determined by J-based configurational methodology combined with an iJ/DP4 statistical analysis and further confirmed by measuring two anisotropic properties: carbon residual chemical shift anisotropies (13C-RCSAs) and one-bond 1H-13C residual dipolar couplings (1DCH-RDCs). The absolute configuration of 1b was deduced by ECD/OR/TD-DFT methods and established as 3R,7S,11R."],["dc.identifier.doi","10.3390/md20070462"],["dc.identifier.pii","md20070462"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/113913"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-597"],["dc.relation.eissn","1660-3397"],["dc.title","Connection of Isolated Stereoclusters by Combining 13C-RCSA, RDC, and J-Based Configurational Analyses and Structural Revision of a Tetraprenyltoluquinol Chromane Meroterpenoid from Sargassum muticum"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","297"],["dc.bibliographiccitation.issue","4"],["dc.bibliographiccitation.journal","Magnetic Resonance in Chemistry"],["dc.bibliographiccitation.lastpage","303"],["dc.bibliographiccitation.volume","55"],["dc.contributor.author","França, José A. A."],["dc.contributor.author","Navarro-Vázquez, Armando"],["dc.contributor.author","Lei, Xinxiang"],["dc.contributor.author","Sun, Han"],["dc.contributor.author","Griesinger, Christian"],["dc.contributor.author","Hallwass, Fernando"],["dc.date.accessioned","2017-09-07T11:52:24Z"],["dc.date.available","2017-09-07T11:52:24Z"],["dc.date.issued","2016"],["dc.description.abstract","The 1 H and 13 C NMR spectra of 17-α-ethinylestradiol (EE2), a well-known contraceptive, including diastereotopic methylene groups, were fully assigned with the help of residual dipolar couplings (RDC) measured in the recently developed grafted graphene oxide orienting medium. RDC analysis, which included all 1 DCH couplings and the long-range 2 DCH1 H-C≡13 C coupling, also pointed to the presence of a minor conformation arising from pseudo-rotation of the steroid B ring. Saturation-transfer difference (STD) measurements revealed that the most likely interaction between EE2 and orienting medium occurred on the C and D ring."],["dc.identifier.doi","10.1002/mrc.4526"],["dc.identifier.gro","3144918"],["dc.identifier.pmid","27637176"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/2595"],["dc.language.iso","en"],["dc.notes.intern","Crossref Import"],["dc.notes.status","final"],["dc.relation.issn","0749-1581"],["dc.title","Complete NMR assignment and conformational analysis of 17-α-ethinylestradiol by using RDCs obtained in grafted graphene oxide"],["dc.type","journal_article"],["dc.type.internalPublication","unknown"],["dc.type.peerReviewed","no"],["dspace.entity.type","Publication"]]